Understanding Molecular Simulation 在线电子书 pdf 下载 txt下载 epub 下载 mobi 下载 2024

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Daan Frenkel 作者

Academic Press

译者

2001-10-19 出版日期

664 页数

GBP 72.99 价格

Hardcover

丛书系列

9780122673511 图书编码

Understanding Molecular Simulation 在线电子书图书标签: 分子模拟化学 Physics 物理-计算物理物理 Programming 计算机材料学

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发表于2024-11-21

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Understanding Molecular Simulation 在线电子书 epub 下载 mobi 下载 pdf 下载 txt 下载 2024

Understanding Molecular Simulation 在线电子书 pdf 下载 txt下载 epub 下载 mobi 下载 2024

Understanding Molecular Simulation 在线电子书用户评价

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做分子模拟很好的入门需要统力基础

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正如作者所言，此书讲的是分子模拟背后的理论，not a cookbook, it is physics that behind the recipes of molar simulation, nice one. 写作学习亦可用，尤其Discussion section is elegant.

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其实1980s剑桥的那本液体动力学模拟依然值得借鉴，但是这本书比较方便的到而且价格合理，推荐这个网站：http://www.pages.drexel.edu/~cfa22/msim/ 基本的重点网页都有讲解，非常画龙点睛。最棒的是提供C代码可以动手实践，比干讲理论好太多了。

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Understanding Molecular Simulation 在线电子书著者简介

Understanding Molecular Simulation 在线电子书图书目录

Understanding Molecular Simulation 在线电子书 pdf 下载 txt下载 epub 下载 mobi 在线电子书下载

Understanding Molecular Simulation 在线电子书图书描述

Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text.

Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on:

Â· Transition path sampling and diffusive barrier crossing to simulaterare events

Â· Dissipative particle dynamic as a course-grained simulation technique

Â· Novel schemes to compute the long-ranged forces

Â· Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations

Â· Multiple-time step algorithms as an alternative for constraints

Â· Defects in solids

Â· The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules

Â· Parallel tempering for glassy Hamiltonians

Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.

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